SCHEMBL9811499

SCHEMBL9811499

CCCCCC1(N)NC(=S)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
PKM P14618 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.34
MMP3 P08254 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 6/20 0.34
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9262364 0.81 MMP2 (0.42) MMP2MMP9MMP3CYP19A1MMP8
SCHEMBL4091048 0.78
SCHEMBL219906 0.78 MMP2 (0.43) MMP2MMP9ALDH1A1KDM4EPKM
Hydrochloric Acid SCHEMBL5513477 0.77 CYP19A1 (0.37) MMP2MMP9KDM4EPKMMMP3
SCHEMBL8033430 0.70 LMNA (0.51) MMP2MMP9ALDH1A1KDM4EPKM
SCHEMBL145409 0.67 KMT2A (0.47) MMP2MMP9ALDH1A1KDM4EPKM
SCHEMBL9506396 0.66 MMP2 (0.43) MMP2MMP9ALDH1A1KDM4EPKM
SCHEMBL10583965 0.65 CPT1A (0.51) MMP2MMP9ALDH1A1KDM4EPKM
SCHEMBL10580926 0.65 CPT1A (0.51) MMP2MMP9ALDH1A1KDM4EPKM
SCHEMBL10582806 0.65 CPT1A (0.51) MMP2MMP9ALDH1A1KDM4EPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041388-A C-terminal peptide sequencing, activated support and reagent system therefor, and method of producing the activated support APPLIED BIOSYSTEMS, INC. (US) 1991-08-20 US disclosed